0 mol 13 unq 0 iso 0 dist 7.64861 8.70822 7.98679 7.02998 7.53416 12.9956 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.35396 9.12812 9.5053 12.1179 6.7142 13.4114 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.69315 12.9678 8.39326 4.3232 8.4701 10.4411 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 9.69315 11.2643 6.33741 4.3232 8.4701 11.6119 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.96327 13.9739 8.39326 15.2083 8.4701 10.4411 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.96327 5.47207 6.33741 15.2083 8.4701 11.6119 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 6.21457 6.08999 7.09806 11.6184 7.77089 9.02856 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 7.90709 14.5524 9.78667 14.9396 7.42144 12.6553 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 7.90709 14.5524 9.78667 13.1743 6.27658 13.5035 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 7.90709 14.0071 8.47026 14.9396 7.42144 10.1588 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 7.90709 14.0071 8.47026 13.1743 6.27658 11.7454 numMergedOcc 0
11 mol 141 unq 4 iso 0 dist 9.03842 14.5524 6.73983 3.29302 9.27009 14.228 numMergedOcc 0
12 mol 141 unq 5 iso 0 dist 9.03842 14.0071 8.6387 3.29302 9.27009 14.0232 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 6.73995 5.76368 7.32555 4.08831 9.34834 5.70722 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 6.73995 5.76368 7.32555 5.47078 5.74846 8.34756 numMergedOcc 0
15 mol 171 unq 2 iso 0 dist 8.619 10.8584 7.32555 7.327 9.34834 5.70722 numMergedOcc 0
16 mol 171 unq 3 iso 0 dist 8.619 10.8584 7.32555 3.4213 5.74846 8.34756 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 9.80811 5.18755 9.76411 10.9116 8.48879 6.66311 numMergedOcc 0
18 mol 196 unq 1 iso 0 dist 9.80811 5.18755 9.76411 12.7653 5.89591 10.8013 numMergedOcc 0
19 mol 196 unq 2 iso 0 dist 9.80811 5.18755 9.76411 17.7292 9.72376 17.0364 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 6.6588 5.64437 6.78579 3.61565 9.68477 6.75621 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 6.02641 6.77056 8.28466 3.42966 6.59036 10.0046 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 7.89384 5.52123 7.39391 9.49612 8.09509 4.34126 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 9.71673 13.5618 8.2997 16.599 8.60027 14.9951 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.04531 10.4785 7.85414 14.6245 9.26157 14.6871 numMergedOcc 0
